Thermal conductivity prediction by atomistic simulation methods: Recent advances and detailed comparison
Atomistic simulation methods, including anharmonic lattice dynamics combined with the
Boltzmann transport equation, equilibrium and non-equilibrium molecular dynamics …
Boltzmann transport equation, equilibrium and non-equilibrium molecular dynamics …
A review of recent advances and applications of machine learning in tribology
In tribology, a considerable number of computational and experimental approaches to
understand the interfacial characteristics of material surfaces in motion and tribological …
understand the interfacial characteristics of material surfaces in motion and tribological …
Extremely anisotropic van der Waals thermal conductors
The densification of integrated circuits requires thermal management strategies and high
thermal conductivity materials,–. Recent innovations include the development of materials …
thermal conductivity materials,–. Recent innovations include the development of materials …
GPUMD: A package for constructing accurate machine-learned potentials and performing highly efficient atomistic simulations
We present our latest advancements of machine-learned potentials (MLPs) based on the
neuroevolution potential (NEP) framework introduced in Fan et al.[Phys. Rev. B 104, 104309 …
neuroevolution potential (NEP) framework introduced in Fan et al.[Phys. Rev. B 104, 104309 …
Neuroevolution machine learning potentials: Combining high accuracy and low cost in atomistic simulations and application to heat transport
We develop a neuroevolution-potential (NEP) framework for generating neural network-
based machine-learning potentials. They are trained using an evolutionary strategy for …
based machine-learning potentials. They are trained using an evolutionary strategy for …
Tunable anisotropic thermal transport in porous carbon foams: The role of phonon coupling
XK Chen, XY Hu, P Jia, ZX **e, J Liu - International Journal of Mechanical …, 2021 - Elsevier
Carbon foams (CFs) possess high storage capacity, good electronic conductivity and superb
mechanical strength, which demonstrate promising applications in many engineering fields …
mechanical strength, which demonstrate promising applications in many engineering fields …
General-purpose machine-learned potential for 16 elemental metals and their alloys
Abstract Machine-learned potentials (MLPs) have exhibited remarkable accuracy, yet the
lack of general-purpose MLPs for a broad spectrum of elements and their alloys limits their …
lack of general-purpose MLPs for a broad spectrum of elements and their alloys limits their …
Modeling heat transport in crystals and glasses from a unified lattice-dynamical approach
We introduce a novel approach to model heat transport in solids, based on the Green-Kubo
theory of linear response. It naturally bridges the Boltzmann kinetic approach in crystals and …
theory of linear response. It naturally bridges the Boltzmann kinetic approach in crystals and …
Influence of thermostatting on nonequilibrium molecular dynamics simulations of heat conduction in solids
Nonequilibrium molecular dynamics (NEMD) has been extensively used to study thermal
transport at various length scales in many materials. In this method, two local thermostats at …
transport at various length scales in many materials. In this method, two local thermostats at …
Heat conduction theory including phonon coherence
Understanding and quantifying the fundamental physical property of coherence of thermal
excitations is a long-standing and general problem in physics. The conventional theory, ie …
excitations is a long-standing and general problem in physics. The conventional theory, ie …